1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one

C22H20N4O2 — CID 135409559

IUPAC1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=c1[nH]c2ccc3[nH]cccc3c2c1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H20N4O2/c27-22-18(21-17-2-1-9-23-19(17)7-8-20(21)25-22)14-24-15-3-5-16(6-4-15)26-10-12-28-13-11-26/h1-9,14,23H,10-13H2,(H,25,27)/b24-14+
InChIKeyOYKRZZOHUSVVRX-ZVHZXABRSA-N
MW372.43 g/mol
LogP3.60
Rot. Bonds3

About 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one

1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one (PubChem CID 135409559) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
PubChem CID135409559
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=c1[nH]c2ccc3[nH]cccc3c2c1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H20N4O2/c27-22-18(21-17-2-1-9-23-19(17)7-8-20(21)25-22)14-24-15-3-5-16(6-4-15)26-10-12-28-13-11-26/h1-9,14,23H,10-13H2,(H,25,27)/b24-14+
InChIKeyOYKRZZOHUSVVRX-ZVHZXABRSA-N
XLogP3.60
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide
CID 135421145
1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
CID 135486211
1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983
1-(4-bromophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657995
6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135481875
1-(3-chloro-4-methylphenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 988539
N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
CID 135441376
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
ethyl 4-[3-hydroxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]-1-oxoisoquinolin-2-yl]benzoate
CID 3603965
6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2878941

Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one (CID 135409559) is 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one is O=c1[nH]c2ccc3[nH]cccc3c2c1/C=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The InChIKey is OYKRZZOHUSVVRX-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22-18(21-17-2-1-9-23-19(17)7-8-20(21)25-22)14-24-15-3-5-16(6-4-15)26-10-12-28-13-11-26/h1-9,14,23H,10-13H2,(H,25,27)/b24-14+.
What are the key properties of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one has a molecular weight of 372.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 135409559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).